3,5-二苯基-1-H-1,2,4-三氮唑

3,5-二苯基-1-H-1,2,4-三氮唑 基本信息
CAS号 2039-06-7 分子式 C14H11N3
分子量 221.25700 精确质量 　221.09500
PSA 　41.57000 LogP 　3.13870
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目录
基本信息 物化性质 毒性 上下游

基本信息 展开↓

CAS号：
2039-06-7
3D弹球模型：
立即前往扯扯看
分子式：
C14H11N3
分子量：
221.25700
中文名称：
3,5-二苯基-1-H-1,2,4-三氮唑
英文名称：
3,5-Diphenyl-1H-1,2,4-triazole
中文别名：
3,5-二苯基-1-H-1,2,4-三氮唑;
1-Amino-3-phenylpropane;
3-phenylpropan-1-amine;
3-phenylpropan-1-aminium;
3-Phenyl propylamine;
3-Amino-10,11-dihydro-5H-dibenzo[b,f] azepine;
3-Amino-iminodibenzyl;
3-Phenyl-1-propylamine;
2-(morpholin-4-yl)ethanamine;
4-(2-ammonioethyl)morpholin-4-ium;
N-(2-aminoethyl) morpholine;
2-Morpholinoethylamine;
N-(2-Aminoethyl)morpholine;
Fluorocytosine;
4-Chloro-A-(1-Methylethyl) Benzene Acetonitrile;
2,4-DDimethylamine;
2,4-ddimethylaminesalt[qr];
2,4-ddma;
(2,4-dichlorophenoxy)acetic acid - N-methylmethanamine (1:1);
dimethylammonium 2,4-dichlorophenoxyacetate;
pyrimidinyl)-, monosodium salt;
sulfadimidine sodium(sm2-na)(ndc:56631-0901);
sodiumsulphamethazine;
4-amino-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide;
sodium [(4-aminophenyl)sulfonyl](4,6-dimethylpyrimidin-2-yl)azanide;
4-Amino-N-(4,6-dimethyl-2-pyrimidinyl)benzenesulfonamide;
Sulfamethazine Sodium
英文别名：
3,5-Diphenyl-1H-1,2,4-triazole;
3,5-Diphenyl-4H-1,2,4-triazole;
1H-1,2,4-TRIAZOLE,3,5-DIPHENYL;
3,5-diphenyl-s-triazole;
2,5-Diphenyl-1H-1,2,4-triazol;
3,5-Diphenyl-1,2,4-triazol;
s-Triazole,3,5-diphenyl;
3,5-Diphenyl-1,2,4-triazole;
3,5-Diphenyl-1H-1,2,4-triazol
精确分子量/精确质量：
221.09500
极性分子表面积/PSA：
41.57000
油水分配系数/LogP：

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值，反映了物质在油水两相中的分配情况。其中、LogP值越大，说明该物质越亲油；反之，LogP值越小，则说明该物质越亲水。
InChI：
InChI=1/C14H11N3/c1-3-7-11(8-4-1)13-15-14(17-16-13)12-9-5-2-6-10-12/h1-10H,(H,15,16,17)

物化性质展开↓

密度：
1.197g/cm3
沸点：
440ºC at 760 mmHg
闪点：
206.8ºC
折射率：
1.633
蒸汽压：
6.1E-08mmHg at 25°C

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XZ4803000
CHEMICAL NAME :
1H-1,2,4-Triazole, 3,5-diphenyl-
CAS REGISTRY NUMBER :
2039-06-7
LAST UPDATED :
199712
DATA ITEMS CITED :
3
MOLECULAR FORMULA :
C14-H11-N3
MOLECULAR WEIGHT :
221.28
WISWESSER LINE NOTATION :
T5NN DNJ CR& ER

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
300 mg/kg
TOXIC EFFECTS :
Lungs, Thorax, or Respiration - respiratory depression
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 50,597,1961
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
90 mg/kg
TOXIC EFFECTS :
Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - other changes
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 50,597,1961 ** REPRODUCTIVE DATA **
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Subcutaneous
DOSE :
30 mg/kg
SEX/DURATION :
female 4-8 day(s) after conception
TOXIC EFFECTS :
Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 26,1187,1983

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